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Home > Nitro Compounds > 874774-08-0
874774-08-0 | 2-Methyl-4-(3-nitrophenyl)pyrimidine
CAS No: 874774-08-0 Catalog No: AG00IEM4 MDL No:MFCD01763849
Product Description
Catalog Number:
AG00IEM4
Chemical Name:
2-Methyl-4-(3-nitrophenyl)pyrimidine
CAS Number:
874774-08-0
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
MDL Number:
MFCD01763849
IUPAC Name:
2-methyl-4-(3-nitrophenyl)pyrimidine
InChI:
InChI=1S/C11H9N3O2/c1-8-12-6-5-11(13-8)9-3-2-4-10(7-9)14(15)16/h2-7H,1H3
InChI Key:
CXQWESMWAOTKKE-UHFFFAOYSA-N
SMILES:
Cc1nccc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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